C515-0030 Screening compound: 1,4-dimethyl-N-(2-methyl-4-quinolyl)-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

C515-0030 Screening compound: 1,4-dimethyl-N-(2-methyl-4-quinolyl)-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide
C515-0030 Screening compound: 1,4-dimethyl-N-(2-methyl-4-quinolyl)-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C515-0030
1,4-dimethyl-N-(2-methyl-4-quinolyl)-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C515-0030

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

1,4-dimethyl-N-(2-methyl-4-quinolyl)-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

IUPAC name

14-dimethyl-N-(2-methylquinolin-4-yl)-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamide

SMILES

Cc1nc2ccccc2c(NS(c(cc2)cc(N(C)C3=O)c2N(C)C3=O)(=O)=O)c1

InChI

InChI=1S/C20H18N4O4S/c1-12-10-16(14-6-4-5-7-15(14)21-12)22-29(27,28)13-8-9-17-18(11-13)24(3)20(26)19(25)23(17)2/h4-11H,1-3H3,(H,21,22)

InChI Key

YESRXHGXPAENHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.576

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-2.65

Polar Surface Area

78.687

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C515-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C515-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C515-0030?
Check Price and Availability of C515-0030, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C515-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C515-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C515-0030
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C515-0030 available by request